==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 06-MAR-12 4E1F . COMPND 2 MOLECULE: VGRG PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR E.DURAND,G.AUDOLY,E.DERREZ,S.SPINELLI,M.ORTIZ-LOMBARDIA,E.CA . 355 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 2 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 4 1 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A A 0 0 122 0, 0.0 34,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 134.9 48.9 80.7 13.1 2 1 A T - 0 0 25 32,-0.1 32,-0.1 1,-0.1 46,-0.1 -0.595 360.0-111.9 -71.4 124.1 46.4 83.7 12.9 3 2 A P - 0 0 53 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.236 28.6-116.2 -58.1 146.1 43.8 83.4 15.8 4 3 A D - 0 0 142 1,-0.1 3,-0.1 -3,-0.0 79,-0.0 -0.521 45.8 -84.6 -73.6 153.5 40.2 82.6 14.7 5 4 A F - 0 0 79 -2,-0.2 -1,-0.1 1,-0.1 78,-0.1 -0.297 46.7-106.2 -56.0 141.2 37.7 85.3 15.6 6 5 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.436 30.7-157.7 -61.7 146.8 36.3 85.1 19.2 7 6 A T + 0 0 58 318,-0.1 319,-2.5 1,-0.1 2,-0.4 0.725 62.3 70.2-100.3 -31.4 32.7 83.8 18.9 8 7 A H E +a 326 0A 41 317,-0.2 319,-0.2 319,-0.0 -1,-0.1 -0.812 48.0 168.1-101.4 136.4 31.0 85.0 22.1 9 8 A F E -a 327 0A 21 317,-1.6 319,-1.0 -2,-0.4 4,-0.1 -0.981 37.9-129.1-137.0 143.4 30.1 88.6 23.2 10 9 A P S S- 0 0 68 0, 0.0 318,-0.6 0, 0.0 2,-0.1 0.875 89.8 -12.9 -62.0 -33.8 27.9 89.7 26.2 11 10 A K S S- 0 0 123 1,-0.3 -2,-0.1 316,-0.2 317,-0.1 -0.385 115.5 -11.9-138.9-148.8 25.7 91.9 23.9 12 11 A S - 0 0 13 -2,-0.1 75,-2.2 74,-0.1 76,-0.4 -0.283 64.3-159.4 -62.7 140.9 25.8 93.4 20.3 13 12 A S E -CD 86 167B 11 154,-2.5 154,-2.8 73,-0.3 2,-0.3 -0.867 7.0-156.9-125.1 160.3 29.2 93.0 18.5 14 13 A I E -CD 85 166B 6 71,-2.5 71,-2.1 -2,-0.3 2,-0.3 -0.996 7.9-177.3-142.6 143.3 31.0 94.8 15.6 15 14 A G E - D 0 165B 12 150,-2.3 150,-2.9 -2,-0.3 2,-0.3 -0.933 13.4-150.3-132.1 152.4 33.7 94.0 13.1 16 15 A I E - D 0 164B 9 -2,-0.3 66,-2.5 148,-0.2 2,-0.4 -0.953 4.3-158.0-127.6 148.4 35.2 96.2 10.4 17 16 A Q E -ED 81 163B 40 146,-2.5 146,-2.4 -2,-0.3 2,-0.4 -0.992 12.7-175.3-125.2 130.4 36.8 95.4 7.0 18 17 A N E -ED 80 162B 0 62,-2.5 62,-3.1 -2,-0.4 2,-0.4 -0.900 12.7-154.0-137.0 105.9 39.2 98.0 5.4 19 18 A E E -E 79 0B 49 142,-2.9 139,-0.5 -2,-0.4 60,-0.2 -0.629 22.2-135.0 -79.7 126.1 40.7 97.6 1.9 20 19 A L - 0 0 8 58,-2.9 58,-0.4 -2,-0.4 2,-0.3 -0.591 10.8-148.6 -83.2 148.1 44.0 99.5 1.6 21 20 A A B S+O 156 0C 43 135,-2.6 135,-1.5 -2,-0.2 3,-0.1 -0.875 71.9 41.0-110.7 148.0 45.0 101.7 -1.4 22 21 A G S S+ 0 0 23 -2,-0.3 121,-2.4 133,-0.2 2,-0.3 0.390 105.5 47.0 104.0 -2.4 48.5 102.2 -2.7 23 22 A L E -F 142 0B 7 119,-0.3 55,-0.5 -3,-0.2 2,-0.3 -0.984 56.9-145.9-156.7 170.3 49.9 98.6 -2.5 24 23 A V E -F 141 0B 2 117,-2.5 117,-2.2 -2,-0.3 2,-0.4 -0.906 14.8-134.9-133.9 164.4 49.5 94.9 -3.2 25 24 A V E -FG 140 76B 0 51,-2.8 51,-2.6 -2,-0.3 2,-0.4 -0.949 18.1-156.5-114.8 138.5 50.5 91.7 -1.5 26 25 A A E +FG 139 75B 2 113,-2.2 113,-1.7 -2,-0.4 49,-0.2 -0.963 22.4 160.8-116.1 134.3 51.9 88.9 -3.7 27 26 A M E - G 0 74B 0 47,-2.2 47,-2.7 -2,-0.4 111,-0.2 -0.971 46.3 -75.5-144.1 161.3 51.7 85.3 -2.5 28 27 A P > - 0 0 24 0, 0.0 3,-1.3 0, 0.0 45,-0.2 -0.197 65.7 -87.8 -56.1 149.8 51.9 81.7 -3.9 29 28 A A T 3 S+ 0 0 50 42,-0.3 44,-0.1 1,-0.2 42,-0.0 -0.307 113.9 18.0 -58.0 142.9 48.7 80.7 -5.8 30 29 A N T 3 S+ 0 0 165 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.706 89.6 156.5 63.3 26.3 46.0 79.1 -3.6 31 30 A S < - 0 0 17 -3,-1.3 -1,-0.2 1,-0.1 4,-0.1 -0.375 52.7 -91.2 -70.7 159.1 47.7 80.5 -0.4 32 31 A A - 0 0 68 2,-0.1 -1,-0.1 1,-0.1 19,-0.1 -0.337 35.3-118.2 -69.0 153.4 45.4 81.0 2.7 33 32 A Q S S+ 0 0 105 17,-0.1 18,-1.9 -3,-0.1 2,-0.3 0.872 94.7 71.0 -64.5 -38.3 43.8 84.4 2.9 34 33 A K E +H 50 0B 72 16,-0.2 16,-0.2 1,-0.1 -2,-0.1 -0.657 44.8 164.9 -85.2 131.5 45.5 85.4 6.2 35 34 A F E - 0 0 0 14,-2.7 100,-1.9 -2,-0.3 99,-1.3 0.390 67.5 -27.5-122.0 -2.2 49.3 86.2 6.1 36 35 A G E -HI 49 133B 0 13,-1.2 13,-2.5 97,-0.3 -1,-0.3 -0.980 53.4-131.4 175.7-173.1 49.5 87.9 9.5 37 36 A Y E -HI 48 132B 31 95,-2.3 95,-3.1 11,-0.3 2,-0.4 -0.978 13.3-129.6-161.9 156.1 47.8 89.9 12.3 38 37 A V E +HI 47 131B 0 9,-2.6 8,-2.7 -2,-0.3 9,-1.6 -0.948 28.8 177.5-113.8 131.3 48.3 93.0 14.5 39 38 A K E -HI 45 130B 48 91,-2.5 91,-3.0 -2,-0.4 6,-0.3 -0.861 33.1-100.7-125.8 165.2 47.8 92.7 18.2 40 39 A S E > - I 0 129B 5 4,-2.7 3,-1.6 -2,-0.3 89,-0.2 -0.414 37.7-108.8 -77.9 162.7 48.2 95.1 21.2 41 40 A A T 3 S+ 0 0 44 87,-1.8 88,-0.1 1,-0.3 -1,-0.1 0.819 122.5 61.9 -58.9 -31.1 51.4 94.9 23.3 42 41 A Q T 3 S- 0 0 158 86,-0.3 -1,-0.3 2,-0.1 87,-0.1 0.601 125.5-104.3 -70.8 -13.7 49.1 93.5 26.0 43 42 A G S < S+ 0 0 43 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.327 71.9 141.5 107.9 -4.1 48.4 90.5 23.7 44 43 A D - 0 0 106 1,-0.1 -4,-2.7 -5,-0.1 2,-0.3 -0.599 52.5-125.9 -76.0 123.7 44.8 91.3 22.4 45 44 A A E +H 39 0B 26 -2,-0.4 -6,-0.3 -6,-0.3 38,-0.1 -0.524 32.2 176.0 -70.2 123.6 44.4 90.5 18.6 46 45 A L E - 0 0 3 -8,-2.7 37,-2.2 1,-0.4 2,-0.3 0.855 54.4 -15.2 -98.6 -48.5 43.1 93.6 16.8 47 46 A F E -HJ 38 82B 0 -9,-1.6 -9,-2.6 35,-0.3 -1,-0.4 -0.985 57.3-118.0-159.0 157.7 43.0 92.8 13.1 48 47 A M E -HJ 37 81B 3 33,-3.1 33,-2.0 -2,-0.3 2,-0.6 -0.740 19.1-132.5 -99.4 150.3 44.1 90.3 10.4 49 48 A L E +HJ 36 80B 0 -13,-2.5 -14,-2.7 -2,-0.3 -13,-1.2 -0.914 42.6 169.6-101.0 113.5 46.3 91.0 7.4 50 49 A T E -HJ 34 79B 10 29,-1.7 29,-2.5 -2,-0.6 2,-0.3 -0.908 39.2-120.3-129.3 160.3 44.6 89.4 4.4 51 50 A K E + J 0 78B 14 -18,-1.9 27,-0.2 -2,-0.3 3,-0.1 -0.725 37.7 166.6 -93.8 140.2 44.6 89.2 0.6 52 51 A D E + 0 0 50 25,-2.6 2,-0.5 -2,-0.3 -1,-0.2 0.532 49.9 30.2-119.0 -88.6 41.4 90.4 -0.9 53 52 A M E S- 0 0 101 1,-0.0 24,-2.0 2,-0.0 -1,-0.3 -0.730 75.1-124.5 -89.9 122.3 41.0 91.2 -4.7 54 53 A N E - J 0 76B 84 -2,-0.5 22,-0.3 22,-0.2 3,-0.1 -0.429 25.1-175.8 -62.8 124.8 43.1 89.2 -7.2 55 54 A Q E - 0 0 91 20,-3.0 21,-0.2 1,-0.4 -1,-0.1 0.125 51.4 -84.6-110.1 17.8 45.0 91.8 -9.3 56 55 A G E - J 0 75B 29 19,-0.5 19,-3.1 2,-0.0 -1,-0.4 -0.241 67.8 -33.8 102.1 169.1 46.7 89.3 -11.7 57 56 A S E - J 0 74B 79 17,-0.2 2,-0.4 1,-0.1 17,-0.3 -0.237 63.1-116.8 -63.6 143.8 49.8 87.1 -11.7 58 57 A Y - 0 0 6 15,-2.9 2,-0.5 12,-0.2 15,-0.2 -0.724 24.7-168.6 -85.8 133.9 52.9 88.4 -9.9 59 58 A Q - 0 0 139 -2,-0.4 12,-0.0 86,-0.3 15,-0.0 -0.994 22.7-131.3-123.1 119.7 56.1 89.1 -11.9 60 59 A R - 0 0 45 -2,-0.5 5,-0.1 1,-0.1 88,-0.1 -0.570 34.3-109.8 -65.5 121.9 59.2 89.8 -9.8 61 60 A P > - 0 0 8 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.333 22.7-127.9 -55.5 132.1 60.8 93.0 -11.3 62 61 A P G > S+ 0 0 111 0, 0.0 3,-1.3 0, 0.0 -2,-0.1 0.815 108.9 60.3 -53.0 -32.4 64.1 91.9 -13.1 63 62 A S G 3 S+ 0 0 97 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.533 106.4 48.6 -72.0 -7.7 66.1 94.6 -11.2 64 63 A L G < S+ 0 0 52 -3,-2.3 -1,-0.2 -4,-0.0 2,-0.0 0.111 75.5 147.4-119.4 18.0 65.0 92.8 -7.9 65 64 A Q < + 0 0 165 -3,-1.3 0, 0.0 1,-0.1 0, 0.0 -0.348 16.3 171.9 -56.5 126.3 65.9 89.2 -9.0 66 65 A D - 0 0 47 2,-0.2 -1,-0.1 -2,-0.0 3,-0.1 0.107 55.0 -99.2-132.0 16.0 67.0 87.5 -5.8 67 66 A G S S+ 0 0 83 1,-0.3 2,-0.2 0, 0.0 -2,-0.1 0.406 84.7 128.8 76.3 -3.0 67.5 83.8 -6.6 68 67 A K - 0 0 142 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 -0.530 64.1-114.0 -91.5 154.3 64.1 83.1 -5.2 69 68 A N + 0 0 93 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.774 38.1 161.2 -87.5 114.2 61.1 81.2 -6.6 70 69 A Y > + 0 0 30 -2,-0.6 3,-1.7 3,-0.1 -12,-0.2 0.017 25.5 154.9-117.9 21.6 58.1 83.4 -7.3 71 70 A Q T 3 S- 0 0 134 1,-0.3 -42,-0.3 -12,-0.0 -12,-0.1 -0.333 70.4 -4.3 -61.8 124.7 56.5 80.9 -9.7 72 71 A N T 3 S+ 0 0 128 1,-0.2 -1,-0.3 -14,-0.2 -43,-0.1 0.431 91.8 156.8 69.2 9.9 52.7 81.1 -10.1 73 72 A W < - 0 0 11 -3,-1.7 -15,-2.9 -15,-0.2 2,-0.3 -0.266 28.8-148.4 -64.1 144.4 52.5 83.8 -7.4 74 73 A Q E -GJ 27 57B 40 -47,-2.7 -47,-2.2 -17,-0.3 2,-0.3 -0.915 5.0-133.3-114.7 147.7 49.4 86.1 -7.5 75 74 A T E +GJ 26 56B 5 -19,-3.1 -20,-3.0 -2,-0.3 -19,-0.5 -0.742 29.4 174.2 -97.7 148.1 49.0 89.8 -6.6 76 75 A H E -GJ 25 54B 13 -51,-2.6 -51,-2.8 -2,-0.3 -22,-0.2 -0.985 35.1-103.1-145.7 158.4 46.1 90.9 -4.4 77 76 A T E - 0 0 17 -24,-2.0 -25,-2.6 -2,-0.3 2,-0.4 -0.391 42.5-117.3 -73.9 158.3 44.8 94.0 -2.7 78 77 A V E - J 0 51B 0 -55,-0.5 -58,-2.9 -58,-0.4 2,-0.4 -0.863 27.7-168.5-101.7 131.9 45.3 94.0 1.1 79 78 A E E -EJ 19 50B 15 -29,-2.5 -29,-1.7 -2,-0.4 2,-0.6 -0.991 14.7-144.3-120.8 130.9 42.3 94.1 3.4 80 79 A L E -EJ 18 49B 0 -62,-3.1 -62,-2.5 -2,-0.4 2,-0.5 -0.834 19.5-168.9 -93.5 118.7 42.6 94.7 7.2 81 80 A V E -EJ 17 48B 19 -33,-2.0 -33,-3.1 -2,-0.6 -64,-0.2 -0.951 12.2-141.5-115.4 107.5 39.9 92.6 9.0 82 81 A S E - J 0 47B 5 -66,-2.5 -35,-0.3 -2,-0.5 -36,-0.1 -0.302 16.6-116.4 -70.8 154.1 39.3 93.4 12.6 83 82 A Y - 0 0 5 -37,-2.2 -67,-0.1 -38,-0.1 -1,-0.1 -0.725 50.3-100.4 -79.8 136.3 38.7 90.8 15.3 84 83 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 -69,-0.2 -0.242 45.7-177.9 -62.4 154.6 35.1 91.6 16.5 85 84 A C E -C 14 0B 8 -71,-2.1 -71,-2.5 -3,-0.1 2,-0.2 -0.829 40.4 -70.7-138.9 173.6 34.6 93.6 19.8 86 85 A E E > -C 13 0B 67 -2,-0.3 3,-1.7 -73,-0.2 -73,-0.3 -0.548 41.7-130.4 -68.6 135.3 31.6 94.8 21.9 87 86 A M T 3 S+ 0 0 13 -75,-2.2 -74,-0.1 1,-0.3 -1,-0.1 0.788 107.9 44.9 -56.2 -35.5 29.7 97.6 20.0 88 87 A D T 3 S+ 0 0 119 -76,-0.4 2,-1.2 1,-0.1 -1,-0.3 0.181 82.2 108.7 -96.3 12.5 29.8 99.8 23.2 89 88 A D <> - 0 0 57 -3,-1.7 4,-1.9 1,-0.2 5,-0.2 -0.753 45.7-178.0 -92.6 89.2 33.5 99.1 24.0 90 89 A K H > S+ 0 0 178 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.883 78.2 51.5 -55.0 -46.0 34.9 102.6 23.2 91 90 A A H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 110.8 47.3 -60.2 -45.9 38.6 101.5 24.0 92 91 A A H > S+ 0 0 15 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.848 113.6 48.3 -65.1 -38.0 38.5 98.4 21.8 93 92 A V H X S+ 0 0 13 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.930 114.4 45.8 -68.5 -48.2 36.9 100.3 18.9 94 93 A E H X S+ 0 0 81 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.857 109.4 53.6 -65.7 -39.5 39.5 103.1 19.1 95 94 A T H X S+ 0 0 36 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.870 108.2 51.5 -63.9 -38.7 42.5 100.8 19.5 96 95 A R H X S+ 0 0 26 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.930 112.2 45.3 -62.2 -47.6 41.5 99.0 16.2 97 96 A K H X S+ 0 0 30 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.916 115.7 46.6 -62.8 -46.0 41.2 102.3 14.3 98 97 A Q H X S+ 0 0 71 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.858 111.5 51.3 -65.2 -39.3 44.6 103.6 15.7 99 98 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.836 110.9 48.8 -69.6 -32.5 46.4 100.2 15.0 100 99 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.906 112.5 47.9 -70.3 -42.9 45.1 100.3 11.3 101 100 A L H X S+ 0 0 59 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.879 112.5 49.0 -65.4 -38.7 46.3 103.9 10.9 102 101 A W H X S+ 0 0 40 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 110.1 51.3 -63.3 -48.9 49.7 103.0 12.4 103 102 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.898 106.0 55.1 -57.6 -39.0 50.0 100.0 10.1 104 103 A A H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 51,-0.5 0.890 109.9 46.4 -61.9 -38.3 49.2 102.2 7.0 105 104 A T H X S+ 0 0 83 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.881 111.7 50.5 -71.2 -36.2 52.1 104.5 8.0 106 105 A H H X S+ 0 0 44 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.909 111.0 49.7 -65.6 -40.5 54.4 101.4 8.6 107 106 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.858 105.6 57.5 -65.2 -38.5 53.4 100.1 5.1 108 107 A T H X S+ 0 0 31 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.917 112.0 40.7 -57.8 -46.1 54.2 103.6 3.6 109 108 A T H >X S+ 0 0 74 -4,-1.7 4,-2.1 2,-0.2 3,-0.5 0.900 111.7 58.1 -69.2 -42.6 57.8 103.3 5.0 110 109 A H H 3X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.905 107.1 45.6 -55.2 -47.0 58.0 99.5 3.9 111 110 A I H 3< S+ 0 0 4 -4,-2.5 39,-0.4 1,-0.2 4,-0.3 0.701 112.6 54.5 -72.5 -18.3 57.3 100.3 0.2 112 111 A D H << S+ 0 0 115 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.890 128.8 10.6 -79.7 -42.9 59.8 103.1 0.3 113 112 A Q H < S+ 0 0 143 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.578 137.8 35.6-114.7 -13.6 62.8 101.2 1.7 114 113 A S S >< S+ 0 0 26 -4,-2.6 3,-1.2 -5,-0.4 26,-0.3 -0.217 75.2 169.9-132.9 39.2 61.8 97.5 1.5 115 114 A N T 3 S+ 0 0 20 -4,-0.3 26,-0.2 1,-0.2 -4,-0.1 -0.326 70.6 14.4 -59.0 136.8 59.7 97.4 -1.8 116 115 A H T 3 S+ 0 0 1 24,-2.1 -1,-0.2 1,-0.3 25,-0.2 0.761 104.2 116.0 66.8 32.3 58.9 93.8 -2.9 117 116 A Q B < S-K 140 0B 91 -3,-1.2 23,-1.9 23,-0.9 -1,-0.3 -0.916 71.7-100.3-123.7 153.2 59.9 92.3 0.5 118 117 A P - 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0 0 149 -2,-0.2 2,-0.3 3,-0.0 -3,-0.1 -0.858 31.9-170.8 -98.6 90.9 -1.4 77.8 21.3 207 206 A L - 0 0 15 -2,-1.0 3,-0.5 -5,-0.2 -5,-0.0 -0.739 29.2-138.7 -92.0 138.9 2.1 79.0 20.8 208 207 A D S S+ 0 0 117 -2,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.875 101.1 7.3 -59.5 -39.7 4.9 78.6 23.4 209 208 A D > - 0 0 83 1,-0.1 4,-2.4 71,-0.1 -1,-0.3 -0.778 68.5-178.7-149.6 93.0 6.2 82.2 22.6 210 209 A K H > S+ 0 0 122 -3,-0.5 4,-2.3 -2,-0.2 5,-0.1 0.851 84.9 48.6 -59.5 -46.0 3.9 84.2 20.2 211 210 A E H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.906 114.3 46.1 -64.9 -44.6 6.0 87.4 20.1 212 211 A L H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.890 112.9 50.3 -65.2 -41.0 9.2 85.3 19.4 213 212 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.905 110.7 49.3 -63.6 -43.7 7.4 83.2 16.7 214 213 A A H X S+ 0 0 7 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.855 111.6 49.5 -64.1 -37.3 6.1 86.4 15.0 215 214 A N H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.920 113.7 45.0 -66.0 -48.3 9.7 87.9 15.0 216 215 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.908 112.7 51.8 -62.5 -45.3 11.3 84.8 13.5 217 216 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.915 112.2 45.2 -57.2 -49.6 8.5 84.5 10.9 218 217 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -27,-0.4 0.871 114.6 49.2 -62.9 -40.9 9.0 88.1 9.8 219 218 A Y H X S+ 0 0 1 -4,-2.2 4,-1.8 -46,-0.2 -2,-0.2 0.971 117.9 38.2 -64.4 -54.4 12.8 87.7 9.7 220 219 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.910 116.7 50.2 -62.4 -49.8 12.8 84.4 7.7 221 220 A T H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.919 109.6 52.6 -57.6 -43.1 9.8 85.5 5.4 222 221 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.912 112.9 44.6 -58.3 -42.9 11.6 88.8 4.6 223 222 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.905 114.1 48.3 -67.1 -44.3 14.8 86.9 3.7 224 223 A Y H X S+ 0 0 2 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.898 114.7 45.6 -64.6 -43.5 12.9 84.3 1.6 225 224 A L H X S+ 0 0 5 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.872 113.1 49.7 -69.0 -38.3 10.9 87.0 -0.3 226 225 A K H X S+ 0 0 27 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.891 110.3 51.2 -65.4 -39.4 14.1 89.1 -0.9 227 226 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.914 111.3 46.9 -61.6 -47.1 15.9 86.0 -2.2 228 227 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.903 112.5 51.4 -61.0 -41.5 13.0 85.3 -4.7 229 228 A E H X S+ 0 0 87 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.940 113.5 43.6 -60.2 -48.6 13.1 89.0 -5.7 230 229 A L H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.871 110.3 54.7 -65.9 -39.9 16.8 89.0 -6.3 231 230 A A H X>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.2 4,-0.9 0.849 113.9 42.7 -59.8 -40.5 16.7 85.6 -8.2 232 231 A K H <5S+ 0 0 97 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.872 117.3 46.2 -73.5 -43.0 14.1 87.1 -10.5 233 232 A K H <5S+ 0 0 140 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.927 126.0 28.5 -66.3 -48.6 15.9 90.4 -10.9 234 233 A F H <5S- 0 0 20 -4,-3.2 17,-3.1 -5,-0.1 18,-0.4 0.450 105.0-117.9 -96.0 -2.3 19.4 89.0 -11.5 235 234 A G T <5 - 0 0 1 -4,-0.9 2,-0.4 15,-0.3 17,-0.3 0.982 46.9-177.7 62.7 58.2 18.4 85.6 -13.2 236 235 A I < - 0 0 3 -5,-1.8 2,-0.9 -6,-0.1 -1,-0.2 -0.792 30.7-130.9 -95.4 133.8 20.0 83.5 -10.4 237 236 A Y - 0 0 135 -2,-0.4 2,-0.5 5,-0.1 18,-0.2 -0.734 33.5-176.8 -78.4 101.3 20.0 79.6 -10.5 238 237 A I B > -P 241 0D 3 -2,-0.9 3,-3.0 3,-0.6 2,-0.1 -0.947 56.6 -51.2-107.5 123.2 18.7 78.8 -7.0 239 238 A N T 3 S- 0 0 72 -2,-0.5 68,-0.1 1,-0.3 67,-0.0 -0.334 124.2 -20.6 51.4-113.8 18.6 75.1 -6.2 240 239 A E T 3 S+ 0 0 149 62,-0.1 2,-0.3 -2,-0.1 -1,-0.3 0.335 106.4 117.4-103.6 3.5 16.7 73.6 -9.2 241 240 A W B < -P 238 0D 1 -3,-3.0 -3,-0.6 62,-0.1 3,-0.1 -0.593 49.9-156.6 -78.0 128.8 14.9 76.9 -10.3 242 241 A D > - 0 0 61 -2,-0.3 3,-1.4 -5,-0.2 4,-0.4 -0.927 9.2-159.5-105.2 111.7 16.0 78.0 -13.9 243 242 A P G > >S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 3,-1.7 0.865 93.6 63.6 -58.7 -31.3 15.5 81.7 -14.6 244 243 A M G > 5S+ 0 0 98 1,-0.3 3,-1.1 3,-0.2 5,-0.1 0.738 92.0 64.0 -65.4 -21.4 15.6 80.9 -18.3 245 244 A S G < 5S+ 0 0 69 -3,-1.4 -1,-0.3 1,-0.2 -4,-0.0 0.659 106.3 44.2 -73.4 -17.9 12.3 78.9 -17.8 246 245 A E G < 5S- 0 0 51 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.031 125.0-103.2-113.3 23.8 10.6 82.2 -16.8 247 246 A Q T < 5S+ 0 0 171 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.785 75.7 142.7 58.5 36.1 12.2 84.1 -19.7 248 247 A I < - 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